SCHEMBL5833207

SCHEMBL5833207

CC(C)CCNC(Cc1cccnc1)C(=O)NC(Cc1ccc(NCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 2/20 0.44
PSMB5 P28074 7/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
REN P00797 1/20 0.40
LONP1 P36776 5/20 0.40
PSMB1 P20618 5/20 0.40
PSMB2 P49721 5/20 0.40
PSMB11 A5LHX3 4/20 0.40
PSMA7 O14818 4/20 0.40
PSMA1 P25786 4/20 0.40
PSMA2 P25787 4/20 0.40
PSMA3 P25788 4/20 0.40
PSMA4 P25789 4/20 0.40
PSMB8 P28062 4/20 0.40
PSMB9 P28065 4/20 0.40
PSMA5 P28066 4/20 0.40
PSMB4 P28070 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5833028 0.92 MMP8 (0.45) MMP9MMP8PSMB5CTSLPSMB8
SCHEMBL5833850 0.90 CTSL (0.49) MMP9MMP8MMP12PSMB5CTSL
SCHEMBL5833547 0.86 GPR132 (0.50) MMP9MMP8CTSLCTSBREN
SCHEMBL5833543 0.86 GPR132 (0.50) MMP9MMP8CTSLCTSBREN
SCHEMBL5833288 0.85 MMP9 (0.44) MMP9MMP8MMP12PSMB5CTSL
SCHEMBL5833193 0.85 MMP12 (0.46) MMP9MMP8MMP12PSMB5CTSL
SCHEMBL5833528 0.84 ACACB (0.50) CTSLCTSBRENKDM4E
SCHEMBL5833526 0.82 MMP9 (0.44) MMP9MMP8MMP12PSMB5CTSL
SCHEMBL5832730 0.81 GPR132 (0.43) PSMB5CTSLCTSBRENKDM4E
SCHEMBL5832907 0.81 ACACB (0.49) CTSLCTSBRENKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US claimed
US-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 US claimed
US-6989448-B2 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN 2006-01-24 US disclosed
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6469038-B1 CALCIUM CHANNEL BLOCKERS THAT CAN BLOCK N-TYPE CALCIUM CHANNELS AND CAN BE USED TO TREAT STROKE, PAIN, CEREBRAL ISCHEMIA, HEAD TRAUMA, ASTHMA, AMYOTROPIC LATERAL SCLEROSIS, AND EPILEPSY WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
US-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers CACNA1C, CACNA1I, CACNA1S MMP9 1991/4885MMP8 2960/4885MMP12 1662/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.